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3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

C26H20F3N3O — CID 118710891

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n(C)c3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C26H20F3N3O/c1-31-23-16-22(17-6-4-3-5-7-17)30-32(23)25(19-10-14-21(33-2)15-11-19)24(31)18-8-12-20(13-9-18)26(27,28)29/h3-16H,1-2H3
InChIKeyKYIZBNCJTCQQIF-UHFFFAOYSA-N
MW447.46 g/mol
LogP6.70
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole

3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (PubChem CID 118710891) has the molecular formula C26H20F3N3O and a molecular weight of 447.46 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
PubChem CID118710891
Molecular FormulaC26H20F3N3O
Molecular Weight447.46 g/mol
Exact Mass447.16
IUPAC Name3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole
SMILESCOc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n(C)c3cc(-c4ccccc4)nn23)cc1
InChIInChI=1S/C26H20F3N3O/c1-31-23-16-22(17-6-4-3-5-7-17)30-32(23)25(19-10-14-21(33-2)15-11-19)24(31)18-8-12-20(13-9-18)26(27,28)29/h3-16H,1-2H3
InChIKeyKYIZBNCJTCQQIF-UHFFFAOYSA-N
XLogP6.70
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.46
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole (CID 118710891) is 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is COc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)n(C)c3cc(-c4ccccc4)nn23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
The InChIKey is KYIZBNCJTCQQIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20F3N3O/c1-31-23-16-22(17-6-4-3-5-7-17)30-32(23)25(19-10-14-21(33-2)15-11-19)24(31)18-8-12-20(13-9-18)26(27,28)29/h3-16H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole?
3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole has a molecular weight of 447.46 g/mol, XLogP of 6.70, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-6-phenyl-2-[4-(trifluoromethyl)phenyl]imidazo[2,1-e]pyrazole is sourced from PubChem (CID 118710891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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